(3S)-1-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]piperidine-3-carboxamide Openeye Name: (3S)-1-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]piperidine-3-carboxamide CAS Name: (3S)-1-[(E)-3-[4-(1-azepanyl)phenyl]-1-oxoprop-2-enyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]piperidine-3-carboxamide Traditional Name: (3S)-1-[(E)-3-[4-(azepan-1-yl)phenyl]acryloyl]nipecotamide Formula: C21H29N3O2 MolecularWeight: 355.47386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)C=CC(=O)N3CCCC(C3)C(=O)N

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)/C=C/C(=O)N3CCC[C@@H](C3)C(=O)N

InChI

InChI=1S/C21H29N3O2/c22-21(26)18-6-5-15-24(16-18)20(25)12-9-17-7-10-19(11-8-17)23-13-3-1-2-4-14-23/h7-12,18H,1-6,13-16H2,(H2,22,26)/b12-9+/t18-/m0/s1